Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.46 |
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11207630 | 0.85 | ESR1 (0.53) | MAPTGAAALDH1A1KMT2AKDM4E | |
| SCHEMBL30067054 | 0.85 | ERN1 (0.50) | MAPTGAAALDH1A1KMT2APOLB | |
| SCHEMBL11077979 | 0.83 | MAPT (0.63) | MAPTGAAALDH1A1KMT2APOLB | |
| SCHEMBL27836294 | 0.83 | TSHR (0.56) | MAPTGAAALDH1A1KMT2AKDM4E | |
| SCHEMBL1193308 | 0.83 | KMT2A (0.52) | MAPTGAAALDH1A1KMT2APOLB | |
| SCHEMBL9195639 | 0.82 | HTT (0.54) | MAPTGAAALDH1A1KMT2AKDM4E | |
| SCHEMBL9629287 | 0.81 | TNFSF11 (0.46) | MAPTGAAALDH1A1KMT2APOLB | |
| SCHEMBL9627528 | 0.81 | HTT (0.48) | MAPTGAAALDH1A1KMT2APOLB | |
| SCHEMBL27867912 | 0.80 | L3MBTL1 (0.40) | MAPTGAAALDH1A1KMT2AKDM4E | |
| SCHEMBL28794942 | 0.79 | ABCB11 (0.47) | MAPTGAAALDH1A1KMT2APOLB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112645809-B | Novel coronavirus 3CL protease inhibitor based on menadione structure | 上海交通大学 | 2022-04-26 | — | — | CN | disclosed |
| CN-112645809-A | Novel coronavirus 3CL protease inhibitor based on menadione structure | 上海交通大学 | 2021-04-13 | — | — | CN | disclosed |